SCHEMBL28600076

SCHEMBL28600076

Clc1[c]cc(-n2cnnc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
LMNA P02545 2/20 0.36
QPCT Q16769 1/20 0.35
NOTUM Q6P988 3/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
ADH5 P11766 1/20 0.32
F2 P00734 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6366966 0.71 ALDH1A1 (0.41) LMNAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL14946712 0.64 POLB (0.64) CYP1A2CYP2C9
SCHEMBL2879045 0.64 CYP1A2 (0.36) CYP1A2CYP2C9QPCT
SCHEMBL3713009 0.61
SCHEMBL16971964 0.61 NOTUM (0.45) NOTUM
SCHEMBL5584028 0.61 AHR (0.30)
SCHEMBL10053600 0.61 L3MBTL1 (0.49) CYP1A2CYP2C9LMNAKMT2AMEN1
SCHEMBL38194 0.61
SCHEMBL10022377 0.61 NOTUM (0.55) CYP1A2CYP2C9LMNAQPCTNOTUM
SCHEMBL15555209 0.61 CYP1A2 (0.52) CYP1A2CYP2C9LMNAQPCTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164458-A Monoacylglycerol lipase modulators 詹森药业有限公司 2021-07-23 CN claimed
CN-113164458-A Monoacylglycerol lipase modulators 詹森药业有限公司 2021-07-23 CN disclosed